N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 198129
• Molecular Formular: C28H23N3O5
• Molecular Mass: 481.49932
• Monoisotopic Mass: 481.16377085
• SMILES: c1(c(=O)n(n(c1C)C)c1ccccc1)NC(=O)COc1cc2c(c(cc(=O)o2)c2ccccc2)cc1
• Canonical SMILES: O=c1oc2cc(OCC(=O)Nc3c(=O)n(n(c3C)C)c3ccccc3)ccc2c(c1)c1ccccc1
• InChI: InChI=1S/C28H23N3O5/c1-18-27(28(34)31(30(18)2)20-11-7-4-8-12-20)29-25(32)17-35-21-13-14-22-23(19-9-5-3-6-10-19)16-26(33)36-24(22)15-21/h3-16H,17H2,1-2H3,(H,29,32)
• InChIKey: DASKZVKNSQYKSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164254039
• PubChem CID: 1752503

CALCULATED PROPERTIES

• Acid pKa: 12.193822
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.914029
• LogD (pH = 7.4): 2.914023
• Log P: 2.9140291
• Molar Refractivity: 144.4909 cm^3
• Polarizability: 51.015903 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds